5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine

C14H29NO — CID 79113827

IUPAC5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine
SMILESC=CCCCOCCNC(C)CCC(C)C
InChIInChI=1S/C14H29NO/c1-5-6-7-11-16-12-10-15-14(4)9-8-13(2)3/h5,13-15H,1,6-12H2,2-4H3
InChIKeyWMQZENJILVEYQY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds11

About 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine

5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine (PubChem CID 79113827) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine
PubChem CID79113827
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine
SMILESC=CCCCOCCNC(C)CCC(C)C
InChIInChI=1S/C14H29NO/c1-5-6-7-11-16-12-10-15-14(4)9-8-13(2)3/h5,13-15H,1,6-12H2,2-4H3
InChIKeyWMQZENJILVEYQY-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
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-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
CID 103852873
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hept-6-en-2-amine
CID 22466195
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine (CID 79113827) is 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine is C=CCCCOCCNC(C)CCC(C)C.
What is the InChIKey of 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine?
The InChIKey is WMQZENJILVEYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-7-11-16-12-10-15-14(4)9-8-13(2)3/h5,13-15H,1,6-12H2,2-4H3.
What are the key properties of 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine?
5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine is sourced from PubChem (CID 79113827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).