(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine

C18H36N2 — CID 10826636

IUPAC(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CN(CCCCCC)[C@H](C)[C@@H]1NCCCCCC
InChIInChI=1S/C18H36N2/c1-5-7-9-11-13-19-18-16(3)15-20(17(18)4)14-12-10-8-6-2/h17-19H,3,5-15H2,1-2,4H3/t17-,18-/m1/s1
InChIKeyMDQRPPIWPJNCEM-QZTJIDSGSA-N
MW280.50 g/mol
LogP4.37
Rot. Bonds11

About (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine

(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine (PubChem CID 10826636) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine
PubChem CID10826636
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CN(CCCCCC)[C@H](C)[C@@H]1NCCCCCC
InChIInChI=1S/C18H36N2/c1-5-7-9-11-13-19-18-16(3)15-20(17(18)4)14-12-10-8-6-2/h17-19H,3,5-15H2,1-2,4H3/t17-,18-/m1/s1
InChIKeyMDQRPPIWPJNCEM-QZTJIDSGSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine
CID 168883648
(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10513351
(2R,3R)-N,1-dicyclohexyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10707626
(3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 59349312
4-methylidene-N-propylpyrrolidin-3-amine
CID 91431232
(4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine
CID 118964770
2-(2-ethylpyrrolidin-1-yl)-N-prop-1-en-2-ylpent-1-en-3-amine
CID 138744933
ethane;methane;1-methyl-N-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-3-amine;molecular hydrogen
CID 142067762
ethane;2-methylbut-2-ene;N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine;molecular hydrogen
CID 142068129
ethane;(2S)-2-prop-1-en-2-ylpyrrolidine
CID 142069631
Ethane;2-prop-1-en-2-ylpyrrolidine
CID 142978633
2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane
CID 143643581

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The IUPAC name of (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine (CID 10826636) is (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine is C=C1CN(CCCCCC)[C@H](C)[C@@H]1NCCCCCC.
What is the InChIKey of (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine?
The InChIKey is MDQRPPIWPJNCEM-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-7-9-11-13-19-18-16(3)15-20(17(18)4)14-12-10-8-6-2/h17-19H,3,5-15H2,1-2,4H3/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine?
(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine has a molecular weight of 280.50 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 10826636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).