N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine

C15H28N4 — CID 79354436

IUPACN-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine
SMILESCCCCCN(CC1Cc2nc[nH]c2CN1)C(C)C
InChIInChI=1S/C15H28N4/c1-4-5-6-7-19(12(2)3)10-13-8-14-15(9-16-13)18-11-17-14/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyKVBVKKWLFWUYGE-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.32
Rot. Bonds7

About N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine

N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine (PubChem CID 79354436) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine
PubChem CID79354436
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine
SMILESCCCCCN(CC1Cc2nc[nH]c2CN1)C(C)C
InChIInChI=1S/C15H28N4/c1-4-5-6-7-19(12(2)3)10-13-8-14-15(9-16-13)18-11-17-14/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyKVBVKKWLFWUYGE-UHFFFAOYSA-N
XLogP2.32
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine?
The IUPAC name of N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine (CID 79354436) is N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine is CCCCCN(CC1Cc2nc[nH]c2CN1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine?
The InChIKey is KVBVKKWLFWUYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-5-6-7-19(12(2)3)10-13-8-14-15(9-16-13)18-11-17-14/h11-13,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine?
N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine is sourced from PubChem (CID 79354436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).