N,4,4-trimethylpent-1-en-2-amine

C8H17N — CID 59850104

IUPACN,4,4-trimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NC
InChIInChI=1S/C8H17N/c1-7(9-5)6-8(2,3)4/h9H,1,6H2,2-5H3
InChIKeyFVXSUSYKAOVPHB-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.16
Rot. Bonds2

About N,4,4-trimethylpent-1-en-2-amine

N,4,4-trimethylpent-1-en-2-amine (PubChem CID 59850104) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,4,4-trimethylpent-1-en-2-amine.

Molecular Properties

Compound NameN,4,4-trimethylpent-1-en-2-amine
PubChem CID59850104
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,4,4-trimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NC
InChIInChI=1S/C8H17N/c1-7(9-5)6-8(2,3)4/h9H,1,6H2,2-5H3
InChIKeyFVXSUSYKAOVPHB-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethylpent-1-en-2-amine?
The IUPAC name of N,4,4-trimethylpent-1-en-2-amine (CID 59850104) is N,4,4-trimethylpent-1-en-2-amine.
What is the SMILES notation for N,4,4-trimethylpent-1-en-2-amine?
The canonical SMILES for N,4,4-trimethylpent-1-en-2-amine is C=C(CC(C)(C)C)NC.
What is the InChIKey of N,4,4-trimethylpent-1-en-2-amine?
The InChIKey is FVXSUSYKAOVPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(9-5)6-8(2,3)4/h9H,1,6H2,2-5H3.
What are the key properties of N,4,4-trimethylpent-1-en-2-amine?
N,4,4-trimethylpent-1-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethylpent-1-en-2-amine is sourced from PubChem (CID 59850104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).