(1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine

C26H46N4 — CID 138511914

About (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine

(1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine (PubChem CID 138511914) has the molecular formula C26H46N4 and a molecular weight of 414.68 g/mol. Its IUPAC name is (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine.

Molecular Properties

• Compound Name: (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine
• PubChem CID: 138511914
• Molecular Formula: C26H46N4
• Molecular Weight: 414.68 g/mol
• Exact Mass: 414.37
• IUPAC Name: (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine
• SMILES: C=C(NC(=C)C(CCC)CC1CC1)C(/C=C\N(C)CNCC1CCNCC1)=C(C)C
• InChI: InChI=1S/C26H46N4/c1-7-8-25(17-23-9-10-23)21(4)29-22(5)26(20(2)3)13-16-30(6)19-28-18-24-11-14-27-15-12-24/h13,16,23-25,27-29H,4-5,7-12,14-15,17-19H2,1-3,6H3/b16-13-
• InChIKey: NIBHDZNZWCPTQW-SSZFMOIBSA-N
• XLogP: 5.15
• TPSA: 39.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.68
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine?

The IUPAC name of (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine (CID 138511914) is (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine.

What is the SMILES notation for (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine?

The canonical SMILES for (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine is C=C(NC(=C)C(CCC)CC1CC1)C(/C=C\N(C)CNCC1CCNCC1)=C(C)C.

What is the InChIKey of (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine?

The InChIKey is NIBHDZNZWCPTQW-SSZFMOIBSA-N. The full InChI is InChI=1S/C26H46N4/c1-7-8-25(17-23-9-10-23)21(4)29-22(5)26(20(2)3)13-16-30(6)19-28-18-24-11-14-27-15-12-24/h13,16,23-25,27-29H,4-5,7-12,14-15,17-19H2,1-3,6H3/b16-13-.

What are the key properties of (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine?

(1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine has a molecular weight of 414.68 g/mol, XLogP of 5.15, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine is sourced from PubChem (CID 138511914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).