2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol

C12H25NO — CID 115712084

IUPAC2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)CC1CC1
InChIInChI=1S/C12H25NO/c1-9(2)6-12(8-14)13-10(3)7-11-4-5-11/h9-14H,4-8H2,1-3H3
InChIKeySCTDWDHBXMJBCH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds7

About 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol

2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol (PubChem CID 115712084) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol
PubChem CID115712084
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)CC1CC1
InChIInChI=1S/C12H25NO/c1-9(2)6-12(8-14)13-10(3)7-11-4-5-11/h9-14H,4-8H2,1-3H3
InChIKeySCTDWDHBXMJBCH-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine
CID 63988910
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
2-N-(1-cyclopropylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716711
2-N-(1-cyclobutylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716709
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
2-(cyclobutylmethylamino)-4-methylpentan-1-ol
CID 65458956
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
CID 61246859
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
CID 115723627

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol (CID 115712084) is 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol is CC(C)CC(CO)NC(C)CC1CC1.
What is the InChIKey of 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol?
The InChIKey is SCTDWDHBXMJBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)6-12(8-14)13-10(3)7-11-4-5-11/h9-14H,4-8H2,1-3H3.
What are the key properties of 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol?
2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 115712084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).