2,3-dimethyl-N-prop-2-enylpentan-1-amine

C10H21N — CID 10057996

IUPAC2,3-dimethyl-N-prop-2-enylpentan-1-amine
SMILESC=CCNCC(C)C(C)CC
InChIInChI=1S/C10H21N/c1-5-7-11-8-10(4)9(3)6-2/h5,9-11H,1,6-8H2,2-4H3
InChIKeyKJBIOONZLNTSMF-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.44
Rot. Bonds6

About 2,3-dimethyl-N-prop-2-enylpentan-1-amine

2,3-dimethyl-N-prop-2-enylpentan-1-amine (PubChem CID 10057996) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2,3-dimethyl-N-prop-2-enylpentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-prop-2-enylpentan-1-amine
PubChem CID10057996
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2,3-dimethyl-N-prop-2-enylpentan-1-amine
SMILESC=CCNCC(C)C(C)CC
InChIInChI=1S/C10H21N/c1-5-7-11-8-10(4)9(3)6-2/h5,9-11H,1,6-8H2,2-4H3
InChIKeyKJBIOONZLNTSMF-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.44
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

2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568961
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62569622
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515
2-propan-2-ylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62579087
2-N-(2-methoxyethyl)-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 82953229
2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558184
2-N-methyl-2-N-(4-methylpentan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62570558
(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine
CID 155145394
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
2-but-2-enoxy-N-prop-2-enylpropan-1-amine
CID 76946820
2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568971

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-prop-2-enylpentan-1-amine?
The IUPAC name of 2,3-dimethyl-N-prop-2-enylpentan-1-amine (CID 10057996) is 2,3-dimethyl-N-prop-2-enylpentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-prop-2-enylpentan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-prop-2-enylpentan-1-amine is C=CCNCC(C)C(C)CC.
What is the InChIKey of 2,3-dimethyl-N-prop-2-enylpentan-1-amine?
The InChIKey is KJBIOONZLNTSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-7-11-8-10(4)9(3)6-2/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 2,3-dimethyl-N-prop-2-enylpentan-1-amine?
2,3-dimethyl-N-prop-2-enylpentan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-prop-2-enylpentan-1-amine is sourced from PubChem (CID 10057996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).