N-[(E)-pent-3-enyl]hexan-2-amine

C11H23N — CID 115890171

IUPACN-[(E)-pent-3-enyl]hexan-2-amine
SMILESC/C=C/CCNC(C)CCCC
InChIInChI=1S/C11H23N/c1-4-6-8-10-12-11(3)9-7-5-2/h4,6,11-12H,5,7-10H2,1-3H3/b6-4+
InChIKeyDUNRPMSMPDNNTN-GQCTYLIASA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds7

About N-[(E)-pent-3-enyl]hexan-2-amine

N-[(E)-pent-3-enyl]hexan-2-amine (PubChem CID 115890171) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]hexan-2-amine
PubChem CID115890171
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[(E)-pent-3-enyl]hexan-2-amine
SMILESC/C=C/CCNC(C)CCCC
InChIInChI=1S/C11H23N/c1-4-6-8-10-12-11(3)9-7-5-2/h4,6,11-12H,5,7-10H2,1-3H3/b6-4+
InChIKeyDUNRPMSMPDNNTN-GQCTYLIASA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.12
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

N-[(E)-pent-3-enyl]heptan-4-amine
CID 115677072
(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine
CID 115890248
methyl 2-[[(E)-pent-3-enyl]amino]hexanoate
CID 103265585
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
CID 115890255
N-(3-methylbut-3-enyl)hexan-2-amine
CID 114472228
N-heptan-2-yldodecan-1-amine
CID 63491878
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-butylpent-3-en-1-amine
CID 73198487

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]hexan-2-amine?
The IUPAC name of N-[(E)-pent-3-enyl]hexan-2-amine (CID 115890171) is N-[(E)-pent-3-enyl]hexan-2-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]hexan-2-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]hexan-2-amine is C/C=C/CCNC(C)CCCC.
What is the InChIKey of N-[(E)-pent-3-enyl]hexan-2-amine?
The InChIKey is DUNRPMSMPDNNTN-GQCTYLIASA-N. The full InChI is InChI=1S/C11H23N/c1-4-6-8-10-12-11(3)9-7-5-2/h4,6,11-12H,5,7-10H2,1-3H3/b6-4+.
What are the key properties of N-[(E)-pent-3-enyl]hexan-2-amine?
N-[(E)-pent-3-enyl]hexan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]hexan-2-amine is sourced from PubChem (CID 115890171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).