1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile

C10H18N2 — CID 130554667

IUPAC1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCC1C
InChIInChI=1S/C10H18N2/c1-4-9(3)12-10(7-11)6-5-8(10)2/h8-9,12H,4-6H2,1-3H3
InChIKeyIBSPLEUDOVBOBV-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds3

About 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile

1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile (PubChem CID 130554667) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile
PubChem CID130554667
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCC1C
InChIInChI=1S/C10H18N2/c1-4-9(3)12-10(7-11)6-5-8(10)2/h8-9,12H,4-6H2,1-3H3
InChIKeyIBSPLEUDOVBOBV-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
CID 61023996
4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile
CID 130491381
1-(butan-2-ylamino)-2-methoxycyclohexane-1-carbonitrile
CID 106872921
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 113305950
2-methyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115025
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
4-methyl-1-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 65376426
2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile
CID 130834446
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 54908045
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile (CID 130554667) is 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile is CCC(C)NC1(C#N)CCC1C.
What is the InChIKey of 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile?
The InChIKey is IBSPLEUDOVBOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9(3)12-10(7-11)6-5-8(10)2/h8-9,12H,4-6H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile?
1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 130554667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).