N-(3-methylbut-3-enyl)hexan-2-amine

C11H23N — CID 114472228

IUPACN-(3-methylbut-3-enyl)hexan-2-amine
SMILESC=C(C)CCNC(C)CCCC
InChIInChI=1S/C11H23N/c1-5-6-7-11(4)12-9-8-10(2)3/h11-12H,2,5-9H2,1,3-4H3
InChIKeyAPFVZBUAVJNMTA-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds7

About N-(3-methylbut-3-enyl)hexan-2-amine

N-(3-methylbut-3-enyl)hexan-2-amine (PubChem CID 114472228) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(3-methylbut-3-enyl)hexan-2-amine.

Molecular Properties

Compound NameN-(3-methylbut-3-enyl)hexan-2-amine
PubChem CID114472228
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(3-methylbut-3-enyl)hexan-2-amine
SMILESC=C(C)CCNC(C)CCCC
InChIInChI=1S/C11H23N/c1-5-6-7-11(4)12-9-8-10(2)3/h11-12H,2,5-9H2,1,3-4H3
InChIKeyAPFVZBUAVJNMTA-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-(hexan-2-ylamino)propanamide
CID 60926870
N-(2-chloroprop-2-enyl)hexan-2-amine
CID 62198931
7-(hexan-2-ylamino)heptan-2-one
CID 155112417
N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
CID 142109813
5-(hexan-2-ylamino)pentanamide
CID 106234439
N-[(E)-pent-3-enyl]hexan-2-amine
CID 115890171
N-heptan-2-ylheptan-1-amine
CID 43572726
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-enyl)hexan-2-amine?
The IUPAC name of N-(3-methylbut-3-enyl)hexan-2-amine (CID 114472228) is N-(3-methylbut-3-enyl)hexan-2-amine.
What is the SMILES notation for N-(3-methylbut-3-enyl)hexan-2-amine?
The canonical SMILES for N-(3-methylbut-3-enyl)hexan-2-amine is C=C(C)CCNC(C)CCCC.
What is the InChIKey of N-(3-methylbut-3-enyl)hexan-2-amine?
The InChIKey is APFVZBUAVJNMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-7-11(4)12-9-8-10(2)3/h11-12H,2,5-9H2,1,3-4H3.
What are the key properties of N-(3-methylbut-3-enyl)hexan-2-amine?
N-(3-methylbut-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-(3-methylbut-3-enyl)hexan-2-amine is sourced from PubChem (CID 114472228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).