N,N,3-trimethylpent-4-en-1-amine

C8H17N — CID 20739799

IUPACN,N,3-trimethylpent-4-en-1-amine
SMILESC=CC(C)CCN(C)C
InChIInChI=1S/C8H17N/c1-5-8(2)6-7-9(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeySXGHNASSDUTDPS-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.76
Rot. Bonds4

About N,N,3-trimethylpent-4-en-1-amine

N,N,3-trimethylpent-4-en-1-amine (PubChem CID 20739799) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,N,3-trimethylpent-4-en-1-amine.

Molecular Properties

Compound NameN,N,3-trimethylpent-4-en-1-amine
PubChem CID20739799
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,N,3-trimethylpent-4-en-1-amine
SMILESC=CC(C)CCN(C)C
InChIInChI=1S/C8H17N/c1-5-8(2)6-7-9(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeySXGHNASSDUTDPS-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(pent-4-enyl)azanium
CID 22486
N,N-Diethyl-4-penten-1-amine
CID 559585
Ammonium, 4-pentenyltrimethyl-, iodide
CID 22485
N,N-dimethylpent-4-en-1-amine;hydrobromide
CID 49796713
N,N-dimethyl-5-hexene-1-amine
CID 16641201
5-(N,N-diisobutylamino)-1-pentene
CID 88291345
2-Methyl-2-Dimethylaminopenten-4
CID 129646951
Hex-5-enyl(trimethyl)azanium
CID 202894
N,N-diethyl-2-methylhept-6-en-1-amine
CID 17824958
N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine
CID 170249868
3-Buten-1-amine, n-butyl-N-methyl-
CID 547050
3-Buten-1-amine, N,N-dibutyl-
CID 588287

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylpent-4-en-1-amine?
The IUPAC name of N,N,3-trimethylpent-4-en-1-amine (CID 20739799) is N,N,3-trimethylpent-4-en-1-amine.
What is the SMILES notation for N,N,3-trimethylpent-4-en-1-amine?
The canonical SMILES for N,N,3-trimethylpent-4-en-1-amine is C=CC(C)CCN(C)C.
What is the InChIKey of N,N,3-trimethylpent-4-en-1-amine?
The InChIKey is SXGHNASSDUTDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-8(2)6-7-9(3)4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N,N,3-trimethylpent-4-en-1-amine?
N,N,3-trimethylpent-4-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylpent-4-en-1-amine is sourced from PubChem (CID 20739799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).