(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine

C11H21N — CID 115890255

IUPAC(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)CC1CC1
InChIInChI=1S/C11H21N/c1-3-4-5-8-12-10(2)9-11-6-7-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+
InChIKeyNONZFKANNVDSAA-ONEGZZNKSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds6

About (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine

(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine (PubChem CID 115890255) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
PubChem CID115890255
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)CC1CC1
InChIInChI=1S/C11H21N/c1-3-4-5-8-12-10(2)9-11-6-7-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+
InChIKeyNONZFKANNVDSAA-ONEGZZNKSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
1-cyclopropyl-N-(2,2-dicyclopropylethyl)propan-2-amine
CID 115724974
N-[(E)-pent-3-enyl]hexan-2-amine
CID 115890171
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
CID 77028692
(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine
CID 115890248
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
CID 115896850
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine (CID 115890255) is (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine is C/C=C/CCNC(C)CC1CC1.
What is the InChIKey of (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine?
The InChIKey is NONZFKANNVDSAA-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-5-8-12-10(2)9-11-6-7-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine?
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 115890255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).