N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine

C16H29NO — CID 155365754

IUPACN,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine
SMILESC=CCC(=C)CC[C@@H](OCCCN(C)C)C(=C)C
InChIInChI=1S/C16H29NO/c1-7-9-15(4)10-11-16(14(2)3)18-13-8-12-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3/t16-/m1/s1
InChIKeyMEQCYEOTTWCYDV-MRXNPFEDSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds11

About N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine

N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine (PubChem CID 155365754) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine
PubChem CID155365754
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine
SMILESC=CCC(=C)CC[C@@H](OCCCN(C)C)C(=C)C
InChIInChI=1S/C16H29NO/c1-7-9-15(4)10-11-16(14(2)3)18-13-8-12-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3/t16-/m1/s1
InChIKeyMEQCYEOTTWCYDV-MRXNPFEDSA-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'}

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Related Compounds

N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine
CID 155483699
N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine
CID 153293917
N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
CID 171629250
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
2-amino-2-[3-(dimethylamino)propoxy]ethanol
CID 123544441
N,N-dimethyl-3-[(3R,5E)-octa-1,5-dien-3-yl]oxypropan-1-amine
CID 89381339
6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
CID 171629245
ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine
CID 163291135
3-heptadecan-9-yloxy-N,N-dimethylpropan-1-amine
CID 140938522
7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione
CID 171629292
N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
CID 62459512
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine (CID 155365754) is N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine is C=CCC(=C)CC[C@@H](OCCCN(C)C)C(=C)C.
What is the InChIKey of N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine?
The InChIKey is MEQCYEOTTWCYDV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29NO/c1-7-9-15(4)10-11-16(14(2)3)18-13-8-12-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3/t16-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine?
N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-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-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine is sourced from PubChem (CID 155365754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).