(3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine

C17H34N2 — CID 59349312

IUPAC(3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine
SMILESC=C(CC[C@H]1C[C@H](NC(C)C)CN1C(C)C)C(C)C
InChIInChI=1S/C17H34N2/c1-12(2)15(7)8-9-17-10-16(18-13(3)4)11-19(17)14(5)6/h12-14,16-18H,7-11H2,1-6H3/t16-,17-/m0/s1
InChIKeyDWEUPSSKIJWVQR-IRXDYDNUSA-N
MW266.47 g/mol
LogP3.83
Rot. Bonds7

About (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine

(3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine (PubChem CID 59349312) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine
PubChem CID59349312
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine
SMILESC=C(CC[C@H]1C[C@H](NC(C)C)CN1C(C)C)C(C)C
InChIInChI=1S/C17H34N2/c1-12(2)15(7)8-9-17-10-16(18-13(3)4)11-19(17)14(5)6/h12-14,16-18H,7-11H2,1-6H3/t16-,17-/m0/s1
InChIKeyDWEUPSSKIJWVQR-IRXDYDNUSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,5,9-Trimethyl-deca-4,8-dienyl)-[1-(2,6,10-trimethyl-undeca-5,9-dienyl)-pyrrolidin-3-yl]-amine
CID 6480611
(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10826636
(Z,3R)-8-ethyl-2-heptan-4-yl-N'-methyl-5-methylidene-6-propan-2-yl-N'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-prop-1-en-2-ylnon-1-ene-1,9-diamine
CID 89391330
4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine
CID 90819070
1-Ethyl-2-(3-ethyl-7-methyloct-7-en-3-yl)-4-methylimidazolidine
CID 91010637
1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine
CID 107818366
(4S)-N-ethyl-4-(3-methylbut-1-en-2-yl)pyrrolidin-3-amine
CID 118964770
[3-(Aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium
CID 123198153
4-Hept-1-en-2-yl-2-methylpyrrolidine
CID 132002877
2-(3-Methylbut-1-en-2-yl)-5-propan-2-ylpyrrolidine
CID 132156199
5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine
CID 134420545
12-methyl-11-methylidene-N-propan-2-yltridecan-1-amine
CID 138727244

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine (CID 59349312) is (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine is C=C(CC[C@H]1C[C@H](NC(C)C)CN1C(C)C)C(C)C.
What is the InChIKey of (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine?
The InChIKey is DWEUPSSKIJWVQR-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H34N2/c1-12(2)15(7)8-9-17-10-16(18-13(3)4)11-19(17)14(5)6/h12-14,16-18H,7-11H2,1-6H3/t16-,17-/m0/s1.
What are the key properties of (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine?
(3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine has a molecular weight of 266.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 59349312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).