N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine

C14H28N2 — CID 123147884

IUPACN-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
SMILESCC=CCCCCNC(C)/C=N/C(C)CC
InChIInChI=1S/C14H28N2/c1-5-7-8-9-10-11-15-14(4)12-16-13(3)6-2/h5,7,12-15H,6,8-11H2,1-4H3/b7-5?,16-12+
InChIKeyXGNNYPDEFRGNLV-CZPWNNPUSA-N
MW224.39 g/mol
LogP3.58
Rot. Bonds9

About N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine

N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine (PubChem CID 123147884) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine.

Molecular Properties

Compound NameN-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
PubChem CID123147884
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
SMILESCC=CCCCCNC(C)/C=N/C(C)CC
InChIInChI=1S/C14H28N2/c1-5-7-8-9-10-11-15-14(4)12-16-13(3)6-2/h5,7,12-15H,6,8-11H2,1-4H3/b7-5?,16-12+
InChIKeyXGNNYPDEFRGNLV-CZPWNNPUSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine
CID 123191906
N-butyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
CID 67812025
(Z)-N-(3-iminopropyl)octadec-9-en-1-amine
CID 88294319
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
N-propan-2-yl-3-(3H-pyrrol-5-yl)propan-1-amine
CID 117754027
N-propan-2-yl-4-(3H-pyrrol-5-yl)butan-1-amine
CID 117754028
(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
(E)-N-[13-(nonylideneamino)tridecyl]octadec-9-en-1-amine
CID 118218045
1-imino-N-methylhept-5-en-2-amine
CID 123138426
2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
CID 123215911
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
N-(2-methyliminoethyl)hex-4-en-2-amine
CID 123303353

Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine?
The IUPAC name of N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine (CID 123147884) is N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine.
What is the SMILES notation for N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine?
The canonical SMILES for N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine is CC=CCCCCNC(C)/C=N/C(C)CC.
What is the InChIKey of N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine?
The InChIKey is XGNNYPDEFRGNLV-CZPWNNPUSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-7-8-9-10-11-15-14(4)12-16-13(3)6-2/h5,7,12-15H,6,8-11H2,1-4H3/b7-5?,16-12+.
What are the key properties of N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine?
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine is sourced from PubChem (CID 123147884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).