(2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine

C16H29N3 — CID 142274857

IUPAC(2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NCC1CCN(CCCN)CC1
InChIInChI=1S/C16H29N3/c1-3-5-7-16(4-2)18-14-15-8-12-19(13-9-15)11-6-10-17/h3-5,7,15,18H,1,6,8-14,17H2,2H3/b7-5-,16-4+
InChIKeyLPXAFCBGEWLXNO-MOLMNCEOSA-N
MW263.43 g/mol
LogP2.28
Rot. Bonds8

About (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine

(2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine (PubChem CID 142274857) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine
PubChem CID142274857
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NCC1CCN(CCCN)CC1
InChIInChI=1S/C16H29N3/c1-3-5-7-16(4-2)18-14-15-8-12-19(13-9-15)11-6-10-17/h3-5,7,15,18H,1,6,8-14,17H2,2H3/b7-5-,16-4+
InChIKeyLPXAFCBGEWLXNO-MOLMNCEOSA-N
XLogP2.28
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine (CID 142274857) is (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine is C=C/C=C\C(=C/C)NCC1CCN(CCCN)CC1.
What is the InChIKey of (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine?
The InChIKey is LPXAFCBGEWLXNO-MOLMNCEOSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-7-16(4-2)18-14-15-8-12-19(13-9-15)11-6-10-17/h3-5,7,15,18H,1,6,8-14,17H2,2H3/b7-5-,16-4+.
What are the key properties of (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine?
(2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine has a molecular weight of 263.43 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 142274857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).