N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine

C17H32N2 — CID 129108642

IUPACN-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine
SMILESC=C/C(=C(/C)CC)N(CC)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H32N2/c1-7-15(6)17(8-2)19(9-3)16-10-12-18(13-11-16)14(4)5/h8,14,16H,2,7,9-13H2,1,3-6H3/b17-15+
InChIKeyDANFJBMEVFWKLD-BMRADRMJSA-N
MW264.46 g/mol
LogP4.05
Rot. Bonds6

About N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine

N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 129108642) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine
PubChem CID129108642
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine
SMILESC=C/C(=C(/C)CC)N(CC)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H32N2/c1-7-15(6)17(8-2)19(9-3)16-10-12-18(13-11-16)14(4)5/h8,14,16H,2,7,9-13H2,1,3-6H3/b17-15+
InChIKeyDANFJBMEVFWKLD-BMRADRMJSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine (CID 129108642) is N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine is C=C/C(=C(/C)CC)N(CC)C1CCN(C(C)C)CC1.
What is the InChIKey of N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is DANFJBMEVFWKLD-BMRADRMJSA-N. The full InChI is InChI=1S/C17H32N2/c1-7-15(6)17(8-2)19(9-3)16-10-12-18(13-11-16)14(4)5/h8,14,16H,2,7,9-13H2,1,3-6H3/b17-15+.
What are the key properties of N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine?
N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 264.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 129108642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).