2-imino-N,N-dipropylpent-4-en-1-amine

C11H22N2 — CID 137453469

IUPAC2-imino-N,N-dipropylpent-4-en-1-amine
SMILES[H]/N=C(\CC=C)CN(CCC)CCC
InChIInChI=1S/C11H22N2/c1-4-7-11(12)10-13(8-5-2)9-6-3/h4,12H,1,5-10H2,2-3H3/b12-11+
InChIKeyBOOIYMMLTFIBBL-VAWYXSNFSA-N
MW182.31 g/mol
LogP2.70
Rot. Bonds8

About 2-imino-N,N-dipropylpent-4-en-1-amine

2-imino-N,N-dipropylpent-4-en-1-amine (PubChem CID 137453469) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-imino-N,N-dipropylpent-4-en-1-amine.

Molecular Properties

Compound Name2-imino-N,N-dipropylpent-4-en-1-amine
PubChem CID137453469
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-imino-N,N-dipropylpent-4-en-1-amine
SMILES[H]/N=C(\CC=C)CN(CCC)CCC
InChIInChI=1S/C11H22N2/c1-4-7-11(12)10-13(8-5-2)9-6-3/h4,12H,1,5-10H2,2-3H3/b12-11+
InChIKeyBOOIYMMLTFIBBL-VAWYXSNFSA-N
XLogP2.70
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine
CID 154938731
N-but-3-enyl-2,2-dimethyl-N-propylpropan-1-amine;ethane
CID 176957810
N-methyl-N-propylpropanimidamide
CID 63176074
N'-prop-2-enyl-N'-propylethane-1,2-diamine
CID 54159625
2-[cyclopropylmethyl(propyl)amino]ethanimidamide
CID 61441797
(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine
CID 164862462
N,N-dipropylpropan-1-amine;propane
CID 174574210
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
1-(dipropylamino)pentan-2-one
CID 62041814
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910

Frequently Asked Questions

What is the IUPAC name of 2-imino-N,N-dipropylpent-4-en-1-amine?
The IUPAC name of 2-imino-N,N-dipropylpent-4-en-1-amine (CID 137453469) is 2-imino-N,N-dipropylpent-4-en-1-amine.
What is the SMILES notation for 2-imino-N,N-dipropylpent-4-en-1-amine?
The canonical SMILES for 2-imino-N,N-dipropylpent-4-en-1-amine is [H]/N=C(\CC=C)CN(CCC)CCC.
What is the InChIKey of 2-imino-N,N-dipropylpent-4-en-1-amine?
The InChIKey is BOOIYMMLTFIBBL-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-11(12)10-13(8-5-2)9-6-3/h4,12H,1,5-10H2,2-3H3/b12-11+.
What are the key properties of 2-imino-N,N-dipropylpent-4-en-1-amine?
2-imino-N,N-dipropylpent-4-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N,N-dipropylpent-4-en-1-amine is sourced from PubChem (CID 137453469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).