N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine

C16H29N3 — CID 65091735

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)Cn2ccnc2)CC1
InChIInChI=1S/C16H29N3/c1-3-5-15-6-4-7-16(9-8-15)18-14(2)12-19-11-10-17-13-19/h10-11,13-16,18H,3-9,12H2,1-2H3
InChIKeyXMRJTLRGVAKVKU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.61
Rot. Bonds6

About N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine

N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine (PubChem CID 65091735) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine
PubChem CID65091735
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)Cn2ccnc2)CC1
InChIInChI=1S/C16H29N3/c1-3-5-15-6-4-7-16(9-8-15)18-14(2)12-19-11-10-17-13-19/h10-11,13-16,18H,3-9,12H2,1-2H3
InChIKeyXMRJTLRGVAKVKU-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine (CID 65091735) is N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NC(C)Cn2ccnc2)CC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine?
The InChIKey is XMRJTLRGVAKVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-15-6-4-7-16(9-8-15)18-14(2)12-19-11-10-17-13-19/h10-11,13-16,18H,3-9,12H2,1-2H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine?
N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).