N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine

C12H24N3P — CID 135229969

IUPACN-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine
SMILES[H]/N=C(\C=C(/P)C(C)C)CNC1CCNCC1
InChIInChI=1S/C12H24N3P/c1-9(2)12(16)7-10(13)8-15-11-3-5-14-6-4-11/h7,9,11,13-15H,3-6,8,16H2,1-2H3/b12-7-,13-10+
InChIKeyURZSIAAKQMANFH-WYHWPVCHSA-N
MW241.32 g/mol
LogP1.76
Rot. Bonds5

About N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine

N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine (PubChem CID 135229969) has the molecular formula C12H24N3P and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine
PubChem CID135229969
Molecular FormulaC12H24N3P
Molecular Weight241.32 g/mol
Exact Mass241.17
IUPAC NameN-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine
SMILES[H]/N=C(\C=C(/P)C(C)C)CNC1CCNCC1
InChIInChI=1S/C12H24N3P/c1-9(2)12(16)7-10(13)8-15-11-3-5-14-6-4-11/h7,9,11,13-15H,3-6,8,16H2,1-2H3/b12-7-,13-10+
InChIKeyURZSIAAKQMANFH-WYHWPVCHSA-N
XLogP1.76
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine?
The IUPAC name of N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine (CID 135229969) is N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine.
What is the SMILES notation for N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine?
The canonical SMILES for N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine is [H]/N=C(\C=C(/P)C(C)C)CNC1CCNCC1.
What is the InChIKey of N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine?
The InChIKey is URZSIAAKQMANFH-WYHWPVCHSA-N. The full InChI is InChI=1S/C12H24N3P/c1-9(2)12(16)7-10(13)8-15-11-3-5-14-6-4-11/h7,9,11,13-15H,3-6,8,16H2,1-2H3/b12-7-,13-10+.
What are the key properties of N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine?
N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine has a molecular weight of 241.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine is sourced from PubChem (CID 135229969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).