ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine

C14H31NO — CID 168888487

IUPACethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine
SMILESC=C(NCCCCCCOC)C(C)C.CC
InChIInChI=1S/C12H25NO.C2H6/c1-11(2)12(3)13-9-7-5-6-8-10-14-4;1-2/h11,13H,3,5-10H2,1-2,4H3;1-2H3
InChIKeyUTXJZSIPTCIXRD-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.98
Rot. Bonds9

About ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine

ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine (PubChem CID 168888487) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine.

Molecular Properties

Compound Nameethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine
PubChem CID168888487
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Nameethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine
SMILESC=C(NCCCCCCOC)C(C)C.CC
InChIInChI=1S/C12H25NO.C2H6/c1-11(2)12(3)13-9-7-5-6-8-10-14-4;1-2/h11,13H,3,5-10H2,1-2,4H3;1-2H3
InChIKeyUTXJZSIPTCIXRD-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
N-(5-methoxypentyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756762
ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium
CID 154671877
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine
CID 103779817
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
1,2,3-tris(5-methoxypentyl)guanidine
CID 102441761
1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106002074
N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen
CID 156747368
(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
CID 97307244
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine?
The IUPAC name of ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine (CID 168888487) is ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine.
What is the SMILES notation for ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine?
The canonical SMILES for ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine is C=C(NCCCCCCOC)C(C)C.CC.
What is the InChIKey of ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine?
The InChIKey is UTXJZSIPTCIXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C2H6/c1-11(2)12(3)13-9-7-5-6-8-10-14-4;1-2/h11,13H,3,5-10H2,1-2,4H3;1-2H3.
What are the key properties of ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine?
ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine is sourced from PubChem (CID 168888487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).