2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile

C15H26N2 — CID 54999379

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
SMILESCC(C)N(CC1CC1)C1CCCCCC1C#N
InChIInChI=1S/C15H26N2/c1-12(2)17(11-13-8-9-13)15-7-5-3-4-6-14(15)10-16/h12-15H,3-9,11H2,1-2H3
InChIKeyMFQFDBQEIVDWQO-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.58
Rot. Bonds4

About 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile

2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile (PubChem CID 54999379) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
PubChem CID54999379
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
SMILESCC(C)N(CC1CC1)C1CCCCCC1C#N
InChIInChI=1S/C15H26N2/c1-12(2)17(11-13-8-9-13)15-7-5-3-4-6-14(15)10-16/h12-15H,3-9,11H2,1-2H3
InChIKeyMFQFDBQEIVDWQO-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile (CID 54999379) is 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile is CC(C)N(CC1CC1)C1CCCCCC1C#N.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile?
The InChIKey is MFQFDBQEIVDWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)17(11-13-8-9-13)15-7-5-3-4-6-14(15)10-16/h12-15H,3-9,11H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile?
2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 54999379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).