5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol

C13H27NO — CID 103898995

IUPAC5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol
SMILESCCC(NCC(C)(C)CCCO)C1CC1
InChIInChI=1S/C13H27NO/c1-4-12(11-6-7-11)14-10-13(2,3)8-5-9-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyQKGUNTMAHJDPRU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds8

About 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol

5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol (PubChem CID 103898995) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol
PubChem CID103898995
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol
SMILESCCC(NCC(C)(C)CCCO)C1CC1
InChIInChI=1S/C13H27NO/c1-4-12(11-6-7-11)14-10-13(2,3)8-5-9-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyQKGUNTMAHJDPRU-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106144131
2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
CID 115894970
1-(1-cyclopropylpropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 115895807
4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
CID 106144836
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 103829362
1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 82719668
3-(1-cyclohexylpropylamino)-3-methylbutan-1-ol
CID 115920572
N-(1-cyclopropylpropyl)hydroxylamine
CID 82686074

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol (CID 103898995) is 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol is CCC(NCC(C)(C)CCCO)C1CC1.
What is the InChIKey of 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is QKGUNTMAHJDPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-12(11-6-7-11)14-10-13(2,3)8-5-9-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol?
5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103898995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).