3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol

C15H30N2O — CID 114357352

IUPAC3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)14(16)13(10-18)17(8-11-4-5-11)9-12-6-7-12/h11-14,18H,4-10,16H2,1-3H3
InChIKeyKGKGZIIVKUFXET-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.84
Rot. Bonds7

About 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol

3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 114357352) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID114357352
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)14(16)13(10-18)17(8-11-4-5-11)9-12-6-7-12/h11-14,18H,4-10,16H2,1-3H3
InChIKeyKGKGZIIVKUFXET-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol
CID 114357327
3-amino-2-[cyclopropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356557
3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 114356743
3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol
CID 114357128
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
3-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,4-dimethylpentan-1-ol
CID 105414476
3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114357181
3-amino-3-cyclopropyl-2-(dipropylamino)propan-1-ol
CID 114356470
2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propan-1-ol
CID 64825818
N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2,2-dimethylpropanamide
CID 146435919
2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
CID 62016472

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol (CID 114357352) is 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(N)C(CO)N(CC1CC1)CC1CC1.
What is the InChIKey of 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is KGKGZIIVKUFXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)14(16)13(10-18)17(8-11-4-5-11)9-12-6-7-12/h11-14,18H,4-10,16H2,1-3H3.
What are the key properties of 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol?
3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114357352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).