N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine

C10H21N — CID 91564222

IUPACN,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(C)CN(C)C(C)C
InChIInChI=1S/C10H21N/c1-7-10(4,5)8-11(6)9(2)3/h7,9H,1,8H2,2-6H3
InChIKeyFKAVPRMHBAGKIL-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.54
Rot. Bonds4

About N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine

N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 91564222) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID91564222
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(C)CN(C)C(C)C
InChIInChI=1S/C10H21N/c1-7-10(4,5)8-11(6)9(2)3/h7,9H,1,8H2,2-6H3
InChIKeyFKAVPRMHBAGKIL-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine (CID 91564222) is N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(C)CN(C)C(C)C.
What is the InChIKey of N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is FKAVPRMHBAGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-7-10(4,5)8-11(6)9(2)3/h7,9H,1,8H2,2-6H3.
What are the key properties of N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine?
N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 91564222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).