N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine

C16H29NO — CID 155483699

IUPACN,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine
SMILESC=CC(=C)CCC(OCCCCN(C)C)C(=C)C
InChIInChI=1S/C16H29NO/c1-7-15(4)10-11-16(14(2)3)18-13-9-8-12-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3
InChIKeyANZHGJRJFSRKQO-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds11

About N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine

N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine (PubChem CID 155483699) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine
PubChem CID155483699
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine
SMILESC=CC(=C)CCC(OCCCCN(C)C)C(=C)C
InChIInChI=1S/C16H29NO/c1-7-15(4)10-11-16(14(2)3)18-13-9-8-12-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3
InChIKeyANZHGJRJFSRKQO-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine
CID 153293917
N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine
CID 155365754
N'-[3-(dimethylamino)propyl]-N-ethyl-N-methyl-N'-(2-methyl-7-methylidenenona-1,8-dien-3-yl)butane-1,4-diamine
CID 139514334
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
CID 171629250
27-(dimethylamino)heptacos-1-en-3-one
CID 139647791
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[(2E)-2-methyl-6-methylideneocta-2,7-dienyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;N,N,N'-trimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
CID 160753914
6-(2-methoxyethoxy)-3-methylidenehex-1-ene;2-methoxyprop-1-ene
CID 144564677
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine
CID 163291135

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine?
The IUPAC name of N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine (CID 155483699) is N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine is C=CC(=C)CCC(OCCCCN(C)C)C(=C)C.
What is the InChIKey of N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine?
The InChIKey is ANZHGJRJFSRKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-7-15(4)10-11-16(14(2)3)18-13-9-8-12-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3.
What are the key properties of N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine?
N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine is sourced from PubChem (CID 155483699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).