5-(butylideneamino)pentan-1-amine

C9H20N2 — CID 58308982

IUPAC5-(butylideneamino)pentan-1-amine
SMILESCCC/C=N/CCCCCN
InChIInChI=1S/C9H20N2/c1-2-3-8-11-9-6-4-5-7-10/h8H,2-7,9-10H2,1H3/b11-8+
InChIKeyCFACDEHMELVHRB-DHZHZOJOSA-N
MW156.27 g/mol
LogP1.99
Rot. Bonds7

About 5-(butylideneamino)pentan-1-amine

5-(butylideneamino)pentan-1-amine (PubChem CID 58308982) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 5-(butylideneamino)pentan-1-amine.

Molecular Properties

Compound Name5-(butylideneamino)pentan-1-amine
PubChem CID58308982
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name5-(butylideneamino)pentan-1-amine
SMILESCCC/C=N/CCCCCN
InChIInChI=1S/C9H20N2/c1-2-3-8-11-9-6-4-5-7-10/h8H,2-7,9-10H2,1H3/b11-8+
InChIKeyCFACDEHMELVHRB-DHZHZOJOSA-N
XLogP1.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.99
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'}

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Related Compounds

N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
4-(3-aminopropylimino)butan-1-amine
CID 23657850
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
3-heptyliminopropyl propanoate
CID 175487113
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
dotetracontan-1-amine
CID 14550497

Frequently Asked Questions

What is the IUPAC name of 5-(butylideneamino)pentan-1-amine?
The IUPAC name of 5-(butylideneamino)pentan-1-amine (CID 58308982) is 5-(butylideneamino)pentan-1-amine.
What is the SMILES notation for 5-(butylideneamino)pentan-1-amine?
The canonical SMILES for 5-(butylideneamino)pentan-1-amine is CCC/C=N/CCCCCN.
What is the InChIKey of 5-(butylideneamino)pentan-1-amine?
The InChIKey is CFACDEHMELVHRB-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-8-11-9-6-4-5-7-10/h8H,2-7,9-10H2,1H3/b11-8+.
What are the key properties of 5-(butylideneamino)pentan-1-amine?
5-(butylideneamino)pentan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylideneamino)pentan-1-amine is sourced from PubChem (CID 58308982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).