N-pent-4-en-2-ylhex-5-en-3-amine

C11H21N — CID 21051436

IUPACN-pent-4-en-2-ylhex-5-en-3-amine
SMILESC=CCC(C)NC(CC)CC=C
InChIInChI=1S/C11H21N/c1-5-8-10(4)12-11(7-3)9-6-2/h5-6,10-12H,1-2,7-9H2,3-4H3
InChIKeyZFTNNGYHQQYMJJ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds7

About N-pent-4-en-2-ylhex-5-en-3-amine

N-pent-4-en-2-ylhex-5-en-3-amine (PubChem CID 21051436) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-pent-4-en-2-ylhex-5-en-3-amine.

Molecular Properties

Compound NameN-pent-4-en-2-ylhex-5-en-3-amine
PubChem CID21051436
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-pent-4-en-2-ylhex-5-en-3-amine
SMILESC=CCC(C)NC(CC)CC=C
InChIInChI=1S/C11H21N/c1-5-8-10(4)12-11(7-3)9-6-2/h5-6,10-12H,1-2,7-9H2,3-4H3
InChIKeyZFTNNGYHQQYMJJ-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
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-pent-4-en-2-ylhex-5-en-3-amine?
The IUPAC name of N-pent-4-en-2-ylhex-5-en-3-amine (CID 21051436) is N-pent-4-en-2-ylhex-5-en-3-amine.
What is the SMILES notation for N-pent-4-en-2-ylhex-5-en-3-amine?
The canonical SMILES for N-pent-4-en-2-ylhex-5-en-3-amine is C=CCC(C)NC(CC)CC=C.
What is the InChIKey of N-pent-4-en-2-ylhex-5-en-3-amine?
The InChIKey is ZFTNNGYHQQYMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-10(4)12-11(7-3)9-6-2/h5-6,10-12H,1-2,7-9H2,3-4H3.
What are the key properties of N-pent-4-en-2-ylhex-5-en-3-amine?
N-pent-4-en-2-ylhex-5-en-3-amine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-ylhex-5-en-3-amine is sourced from PubChem (CID 21051436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).