N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine

C10H18N2 — CID 144562386

IUPACN,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine
SMILESC=C/C=N/C(=C)C(C)CCNC
InChIInChI=1S/C10H18N2/c1-5-7-12-10(3)9(2)6-8-11-4/h5,7,9,11H,1,3,6,8H2,2,4H3/b12-7+
InChIKeyNQQCUUIQNPYJBZ-KPKJPENVSA-N
MW166.27 g/mol
LogP2.00
Rot. Bonds6

About N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine

N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine (PubChem CID 144562386) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine
PubChem CID144562386
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine
SMILESC=C/C=N/C(=C)C(C)CCNC
InChIInChI=1S/C10H18N2/c1-5-7-12-10(3)9(2)6-8-11-4/h5,7,9,11H,1,3,6,8H2,2,4H3/b12-7+
InChIKeyNQQCUUIQNPYJBZ-KPKJPENVSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine?
The IUPAC name of N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine (CID 144562386) is N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine.
What is the SMILES notation for N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine?
The canonical SMILES for N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine is C=C/C=N/C(=C)C(C)CCNC.
What is the InChIKey of N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine?
The InChIKey is NQQCUUIQNPYJBZ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-7-12-10(3)9(2)6-8-11-4/h5,7,9,11H,1,3,6,8H2,2,4H3/b12-7+.
What are the key properties of N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine?
N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine is sourced from PubChem (CID 144562386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).