N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine

C12H27NO — CID 139353206

IUPACN-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine
SMILESCCC(C)(C)CCN[C@H](C)CCOC
InChIInChI=1S/C12H27NO/c1-6-12(3,4)8-9-13-11(2)7-10-14-5/h11,13H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyKXVZAJGRMSVXIP-LLVKDONJSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds8

About N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine

N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine (PubChem CID 139353206) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine
PubChem CID139353206
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine
SMILESCCC(C)(C)CCN[C@H](C)CCOC
InChIInChI=1S/C12H27NO/c1-6-12(3,4)8-9-13-11(2)7-10-14-5/h11,13H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyKXVZAJGRMSVXIP-LLVKDONJSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine?
The IUPAC name of N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine (CID 139353206) is N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine.
What is the SMILES notation for N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine?
The canonical SMILES for N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine is CCC(C)(C)CCN[C@H](C)CCOC.
What is the InChIKey of N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine?
The InChIKey is KXVZAJGRMSVXIP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(3,4)8-9-13-11(2)7-10-14-5/h11,13H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine?
N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methoxybutan-2-yl]-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 139353206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).