N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine

C19H33N3 — CID 167048126

IUPACN-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine
SMILES[H]/N=C(\C=C(\CC)NC1CCC(C)(C)C1=C)N1CCCCC1C
InChIInChI=1S/C19H33N3/c1-6-16(21-17-10-11-19(4,5)15(17)3)13-18(20)22-12-8-7-9-14(22)2/h13-14,17,20-21H,3,6-12H2,1-2,4-5H3/b16-13-,20-18+
InChIKeyNRRBGMFDPVMWDR-MGLDXCJPSA-N
MW303.49 g/mol
LogP4.47
Rot. Bonds4

About N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine

N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine (PubChem CID 167048126) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine
PubChem CID167048126
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC NameN-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine
SMILES[H]/N=C(\C=C(\CC)NC1CCC(C)(C)C1=C)N1CCCCC1C
InChIInChI=1S/C19H33N3/c1-6-16(21-17-10-11-19(4,5)15(17)3)13-18(20)22-12-8-7-9-14(22)2/h13-14,17,20-21H,3,6-12H2,1-2,4-5H3/b16-13-,20-18+
InChIKeyNRRBGMFDPVMWDR-MGLDXCJPSA-N
XLogP4.47
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine?
The IUPAC name of N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine (CID 167048126) is N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine.
What is the SMILES notation for N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine?
The canonical SMILES for N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine is [H]/N=C(\C=C(\CC)NC1CCC(C)(C)C1=C)N1CCCCC1C.
What is the InChIKey of N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine?
The InChIKey is NRRBGMFDPVMWDR-MGLDXCJPSA-N. The full InChI is InChI=1S/C19H33N3/c1-6-16(21-17-10-11-19(4,5)15(17)3)13-18(20)22-12-8-7-9-14(22)2/h13-14,17,20-21H,3,6-12H2,1-2,4-5H3/b16-13-,20-18+.
What are the key properties of N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine?
N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine has a molecular weight of 303.49 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine is sourced from PubChem (CID 167048126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).