3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol

C9H22N2O — CID 106348789

IUPAC3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol
SMILESCC(CN)NC(CCO)C(C)C
InChIInChI=1S/C9H22N2O/c1-7(2)9(4-5-12)11-8(3)6-10/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyIGKIYVKKFRGGIB-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.33
Rot. Bonds6

About 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol

3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol (PubChem CID 106348789) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol
PubChem CID106348789
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol
SMILESCC(CN)NC(CCO)C(C)C
InChIInChI=1S/C9H22N2O/c1-7(2)9(4-5-12)11-8(3)6-10/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyIGKIYVKKFRGGIB-UHFFFAOYSA-N
XLogP0.33
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-{[(1S)-2-hydroxy-1-(methylethyl)ethyl]amino}ethyl)amino]-3-methylbutan-1-ol
CID 486264
(2S)-2-[2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]ethylamino]-4-methylpentan-1-ol
CID 44291163
3-[2-(4-Hydroxybutan-2-ylamino)ethylamino]butan-1-ol
CID 469990
2-(2-(1-Hydroxymethyl-2-methyl-propylamino)-ethylamino)-3-methyl-butan-1-OL
CID 469991
(2S)-2-[(2-{[(1S)-2-Hydroxy-1-(2-methylpropyl)ethyl]amino}ethyl)amino]-4-methylpentan-1-ol
CID 486265
2-Methyl-3-Methylaminohexanol
CID 129647648
3-Amino-2-[(isobutylamino)methyl]butan-1-ol
CID 168301758
4-Methyl-3-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 104891918
3-(2-Fluoroethylamino)-4-methylpentan-1-ol
CID 104891948
4-Methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 104892066
3-(2,2-Difluoroethylamino)-4-methylpentan-1-ol
CID 104892077
3-(3-Fluoropropylamino)-4-methylpentan-1-ol
CID 104892085

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol (CID 106348789) is 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol is CC(CN)NC(CCO)C(C)C.
What is the InChIKey of 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol?
The InChIKey is IGKIYVKKFRGGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-7(2)9(4-5-12)11-8(3)6-10/h7-9,11-12H,4-6,10H2,1-3H3.
What are the key properties of 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol?
3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 106348789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).