2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile

C15H27N3O — CID 55114613

IUPAC2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile
SMILESCC(CN1CCOCC1)NC1CCCCCC1C#N
InChIInChI=1S/C15H27N3O/c1-13(12-18-7-9-19-10-8-18)17-15-6-4-2-3-5-14(15)11-16/h13-15,17H,2-10,12H2,1H3
InChIKeyMDZYQPSWCXCKRQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.77
Rot. Bonds4

About 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile

2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile (PubChem CID 55114613) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile
PubChem CID55114613
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile
SMILESCC(CN1CCOCC1)NC1CCCCCC1C#N
InChIInChI=1S/C15H27N3O/c1-13(12-18-7-9-19-10-8-18)17-15-6-4-2-3-5-14(15)11-16/h13-15,17H,2-10,12H2,1H3
InChIKeyMDZYQPSWCXCKRQ-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
CID 129368082
cis-(1R,2S)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]cyclohexane-1-carboxamide
CID 129429926
N-(1-cyclohexylethyl)-1-morpholin-4-ylpropan-2-amine
CID 43779482
2-(4-methoxybutan-2-ylamino)cycloheptane-1-carbonitrile
CID 64605253
2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile
CID 62743028
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile
CID 62741710
N-(1-morpholin-4-ylpropan-2-yl)piperidin-4-amine
CID 61016694
N-(1-morpholin-4-ylpropan-2-yl)spiro[4.5]decan-8-amine
CID 114817280
2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclopentan-1-amine
CID 79864500
2-(pentan-3-ylamino)cyclohexane-1-carbonitrile
CID 62742381

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile (CID 55114613) is 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile is CC(CN1CCOCC1)NC1CCCCCC1C#N.
What is the InChIKey of 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile?
The InChIKey is MDZYQPSWCXCKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(12-18-7-9-19-10-8-18)17-15-6-4-2-3-5-14(15)11-16/h13-15,17H,2-10,12H2,1H3.
What are the key properties of 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile?
2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile has a molecular weight of 265.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylpropan-2-ylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 55114613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).