2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile

C16H26N2O — CID 102898017

IUPAC2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
SMILESN#CCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H26N2O/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-10,12-13H2
InChIKeyPYPYCEPNTHFCBM-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.25
Rot. Bonds4

About 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile

2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile (PubChem CID 102898017) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
PubChem CID102898017
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
SMILESN#CCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H26N2O/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-10,12-13H2
InChIKeyPYPYCEPNTHFCBM-UHFFFAOYSA-N
XLogP3.25
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896430
N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896432
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900766
N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
CID 102900988
2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 102899394
2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile
CID 63091460
3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]benzonitrile
CID 102898003
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-[di(cyclobutyl)amino]acetonitrile
CID 131203762
2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile
CID 154734043

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile (CID 102898017) is 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile is N#CCN(CC1CCC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile?
The InChIKey is PYPYCEPNTHFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-10,12-13H2.
What are the key properties of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile?
2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile has a molecular weight of 262.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile is sourced from PubChem (CID 102898017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).