N-(4-methoxybutan-2-yl)pent-4-en-1-amine

C10H21NO — CID 64603427

IUPACN-(4-methoxybutan-2-yl)pent-4-en-1-amine
SMILESC=CCCCNC(C)CCOC
InChIInChI=1S/C10H21NO/c1-4-5-6-8-11-10(2)7-9-12-3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyCNVHXFXBRZIXTP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds8

About N-(4-methoxybutan-2-yl)pent-4-en-1-amine

N-(4-methoxybutan-2-yl)pent-4-en-1-amine (PubChem CID 64603427) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)pent-4-en-1-amine
PubChem CID64603427
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(4-methoxybutan-2-yl)pent-4-en-1-amine
SMILESC=CCCCNC(C)CCOC
InChIInChI=1S/C10H21NO/c1-4-5-6-8-11-10(2)7-9-12-3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyCNVHXFXBRZIXTP-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
CID 103852873
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine
CID 79113827
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384
6-(4-methoxybutan-2-ylamino)hexan-3-ol
CID 115891785
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
1-N-ethyl-2-N-pent-4-enylpropane-1,2-diamine
CID 116674130
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)pent-4-en-1-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)pent-4-en-1-amine (CID 64603427) is N-(4-methoxybutan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)pent-4-en-1-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)pent-4-en-1-amine is C=CCCCNC(C)CCOC.
What is the InChIKey of N-(4-methoxybutan-2-yl)pent-4-en-1-amine?
The InChIKey is CNVHXFXBRZIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-8-11-10(2)7-9-12-3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of N-(4-methoxybutan-2-yl)pent-4-en-1-amine?
N-(4-methoxybutan-2-yl)pent-4-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 64603427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).