(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol

C12H27NO — CID 103935251

IUPAC(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
SMILESCCC(CC)N(CC(C)C)C[C@H](C)O
InChIInChI=1S/C12H27NO/c1-6-12(7-2)13(8-10(3)4)9-11(5)14/h10-12,14H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyDJBGWQJLQYXXPS-NSHDSACASA-N
MW201.35 g/mol
LogP2.51
Rot. Bonds7

About (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol

(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol (PubChem CID 103935251) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
PubChem CID103935251
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
SMILESCCC(CC)N(CC(C)C)C[C@H](C)O
InChIInChI=1S/C12H27NO/c1-6-12(7-2)13(8-10(3)4)9-11(5)14/h10-12,14H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyDJBGWQJLQYXXPS-NSHDSACASA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
CID 79489819
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
CID 79490992
N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine
CID 79484154
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol (CID 103935251) is (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol is CCC(CC)N(CC(C)C)C[C@H](C)O.
What is the InChIKey of (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol?
The InChIKey is DJBGWQJLQYXXPS-NSHDSACASA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(7-2)13(8-10(3)4)9-11(5)14/h10-12,14H,6-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol?
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 103935251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).