N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine

C12H27N — CID 88589499

IUPACN-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine
SMILESCCC(N(CC)C(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-8-11(12(5,6)7)13(9-2)10(3)4/h10-11H,8-9H2,1-7H3
InChIKeyCWXYOSASGBPGRV-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds4

About N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine

N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine (PubChem CID 88589499) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine
PubChem CID88589499
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine
SMILESCCC(N(CC)C(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-8-11(12(5,6)7)13(9-2)10(3)4/h10-11H,8-9H2,1-7H3
InChIKeyCWXYOSASGBPGRV-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine (CID 88589499) is N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine is CCC(N(CC)C(C)C)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine?
The InChIKey is CWXYOSASGBPGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-8-11(12(5,6)7)13(9-2)10(3)4/h10-11H,8-9H2,1-7H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine?
N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine is sourced from PubChem (CID 88589499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).