N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine

C14H31N — CID 138738863

IUPACN-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine
SMILESCCCN(C(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-9-11-15(14(6,7)8)12(10-2)13(3,4)5/h12H,9-11H2,1-8H3
InChIKeyOHKILMHKCVBLNK-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.32
Rot. Bonds4

About N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine

N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine (PubChem CID 138738863) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine
PubChem CID138738863
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine
SMILESCCCN(C(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-9-11-15(14(6,7)8)12(10-2)13(3,4)5/h12H,9-11H2,1-8H3
InChIKeyOHKILMHKCVBLNK-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine (CID 138738863) is N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine is CCCN(C(CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine?
The InChIKey is OHKILMHKCVBLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-9-11-15(14(6,7)8)12(10-2)13(3,4)5/h12H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine?
N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine has a molecular weight of 213.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine is sourced from PubChem (CID 138738863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).