N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine

C14H31N — CID 90854541

IUPACN-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine
SMILESCCCC(C)(C)CC(C)N(CC)C(C)C
InChIInChI=1S/C14H31N/c1-8-10-14(6,7)11-13(5)15(9-2)12(3)4/h12-13H,8-11H2,1-7H3
InChIKeyHXNVFRBZPOOEEA-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.32
Rot. Bonds7

About N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine

N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine (PubChem CID 90854541) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine
PubChem CID90854541
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine
SMILESCCCC(C)(C)CC(C)N(CC)C(C)C
InChIInChI=1S/C14H31N/c1-8-10-14(6,7)11-13(5)15(9-2)12(3)4/h12-13H,8-11H2,1-7H3
InChIKeyHXNVFRBZPOOEEA-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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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Related Compounds

N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
3,3-dimethylhexane-1,1-diamine
CID 88633791
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925
2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine
CID 59066833
3,5,5-trimethyloctan-2-amine
CID 123362443
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
Lithium diisopropylethylamine
CID 86615685
ethane;N-ethyl-N-propan-2-ylbutan-2-amine
CID 143592166
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910
3,5,5-trimethyloct-1-ene
CID 123557497

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine (CID 90854541) is N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine is CCCC(C)(C)CC(C)N(CC)C(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine?
The InChIKey is HXNVFRBZPOOEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-8-10-14(6,7)11-13(5)15(9-2)12(3)4/h12-13H,8-11H2,1-7H3.
What are the key properties of N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine?
N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine is sourced from PubChem (CID 90854541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).