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

C13H28N2O — CID 114357327

IUPAC3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol
SMILESCCN(CC1CC1)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-5-15(8-10-6-7-10)11(9-16)12(14)13(2,3)4/h10-12,16H,5-9,14H2,1-4H3
InChIKeyTZINLMZBDREJGX-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.45
Rot. Bonds6

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

3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 114357327) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID114357327
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol
SMILESCCN(CC1CC1)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-5-15(8-10-6-7-10)11(9-16)12(14)13(2,3)4/h10-12,16H,5-9,14H2,1-4H3
InChIKeyTZINLMZBDREJGX-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol
CID 114357352
3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol
CID 102992599
3-amino-2-[cyclopropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356557
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63938927
3-amino-4,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-1-ol
CID 114356461
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propylbutane-1,2-diamine
CID 63938154
3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
4-amino-N-tert-butyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432868
3-amino-3-cyclopropyl-2-(dipropylamino)propan-1-ol
CID 114356470
3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 114356743

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol (CID 114357327) is 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol is CCN(CC1CC1)C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is TZINLMZBDREJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-15(8-10-6-7-10)11(9-16)12(14)13(2,3)4/h10-12,16H,5-9,14H2,1-4H3.
What are the key properties of 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol?
3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114357327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).