N-propan-2-ylheptan-1-imine

C10H21N — CID 12650140

IUPACN-propan-2-ylheptan-1-imine
SMILESCCCCCC/C=N/C(C)C
InChIInChI=1S/C10H21N/c1-4-5-6-7-8-9-11-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+
InChIKeyLKJLMAMJWYKVHT-PKNBQFBNSA-N
MW155.28 g/mol
LogP3.44
Rot. Bonds6

About N-propan-2-ylheptan-1-imine

N-propan-2-ylheptan-1-imine (PubChem CID 12650140) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-propan-2-ylheptan-1-imine.

Molecular Properties

Compound NameN-propan-2-ylheptan-1-imine
PubChem CID12650140
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-propan-2-ylheptan-1-imine
SMILESCCCCCC/C=N/C(C)C
InChIInChI=1S/C10H21N/c1-4-5-6-7-8-9-11-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+
InChIKeyLKJLMAMJWYKVHT-PKNBQFBNSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylheptan-1-imine?
The IUPAC name of N-propan-2-ylheptan-1-imine (CID 12650140) is N-propan-2-ylheptan-1-imine.
What is the SMILES notation for N-propan-2-ylheptan-1-imine?
The canonical SMILES for N-propan-2-ylheptan-1-imine is CCCCCC/C=N/C(C)C.
What is the InChIKey of N-propan-2-ylheptan-1-imine?
The InChIKey is LKJLMAMJWYKVHT-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21N/c1-4-5-6-7-8-9-11-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+.
What are the key properties of N-propan-2-ylheptan-1-imine?
N-propan-2-ylheptan-1-imine has a molecular weight of 155.28 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylheptan-1-imine is sourced from PubChem (CID 12650140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).