N-(cycloheptylideneamino)propan-1-amine

C10H20N2 — CID 131155814

IUPACN-(cycloheptylideneamino)propan-1-amine
SMILESCCCNN=C1CCCCCC1
InChIInChI=1S/C10H20N2/c1-2-9-11-12-10-7-5-3-4-6-8-10/h11H,2-9H2,1H3
InChIKeyHYCDKXVVVWCMNA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.70
Rot. Bonds3

About N-(cycloheptylideneamino)propan-1-amine

N-(cycloheptylideneamino)propan-1-amine (PubChem CID 131155814) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(cycloheptylideneamino)propan-1-amine.

Molecular Properties

Compound NameN-(cycloheptylideneamino)propan-1-amine
PubChem CID131155814
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(cycloheptylideneamino)propan-1-amine
SMILESCCCNN=C1CCCCCC1
InChIInChI=1S/C10H20N2/c1-2-9-11-12-10-7-5-3-4-6-8-10/h11H,2-9H2,1H3
InChIKeyHYCDKXVVVWCMNA-UHFFFAOYSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.70
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Di-n-propyl ketone n-propylhydrazone
CID 144789
N-(cycloheptylideneamino)methanamine
CID 12674853
N-(cycloheptylideneamino)-2,2-difluoroethanamine
CID 130649638
N-(heptan-4-ylideneamino)methanamine
CID 15012722
N-[(E)-hexan-2-ylideneamino]propan-2-amine
CID 19887762
N-(cyclohexylideneamino)butan-2-amine
CID 21387223
N-[(E)-heptan-3-ylideneamino]methanamine
CID 21452328
N-(propan-2-ylideneamino)octan-1-amine
CID 21452339
N-[(E)-heptan-2-ylideneamino]methanamine
CID 21452344
N-(cyclohexylideneamino)ethanamine
CID 67668072
3-Pentyl-1,4,5,6-tetrahydropyridazine
CID 70199553
N-(hexan-2-ylideneamino)propan-2-amine
CID 73656390

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)propan-1-amine?
The IUPAC name of N-(cycloheptylideneamino)propan-1-amine (CID 131155814) is N-(cycloheptylideneamino)propan-1-amine.
What is the SMILES notation for N-(cycloheptylideneamino)propan-1-amine?
The canonical SMILES for N-(cycloheptylideneamino)propan-1-amine is CCCNN=C1CCCCCC1.
What is the InChIKey of N-(cycloheptylideneamino)propan-1-amine?
The InChIKey is HYCDKXVVVWCMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-9-11-12-10-7-5-3-4-6-8-10/h11H,2-9H2,1H3.
What are the key properties of N-(cycloheptylideneamino)propan-1-amine?
N-(cycloheptylideneamino)propan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)propan-1-amine is sourced from PubChem (CID 131155814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).