6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide

C12H26N2O2 — CID 107221399

IUPAC6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
SMILESCC[C@H](CO)NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C12H26N2O2/c1-4-11(8-15)14-12(16)9(2)6-5-7-10(3)13/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t9?,10?,11-/m1/s1
InChIKeyUGFZOXNVPNVMSS-VQXHTEKXSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds8

About 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide

6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide (PubChem CID 107221399) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
PubChem CID107221399
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
SMILESCC[C@H](CO)NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C12H26N2O2/c1-4-11(8-15)14-12(16)9(2)6-5-7-10(3)13/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t9?,10?,11-/m1/s1
InChIKeyUGFZOXNVPNVMSS-VQXHTEKXSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide
CID 106188485
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432
N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
CID 59861010
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
6-amino-2-methyl-N-(4-methylpentan-2-yl)heptanamide
CID 65292557
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide
CID 65290404
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
6-amino-2-methyl-N-propylheptanamide
CID 65292773
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide (CID 107221399) is 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide is CC[C@H](CO)NC(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide?
The InChIKey is UGFZOXNVPNVMSS-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-11(8-15)14-12(16)9(2)6-5-7-10(3)13/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t9?,10?,11-/m1/s1.
What are the key properties of 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide?
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide is sourced from PubChem (CID 107221399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).