N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine

C13H24N2 — CID 115694258

IUPACN-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
SMILESC#CCCCCNC1CCN(C(C)C)C1
InChIInChI=1S/C13H24N2/c1-4-5-6-7-9-14-13-8-10-15(11-13)12(2)3/h1,12-14H,5-11H2,2-3H3
InChIKeyGZSZGXWEZRZCOX-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.86
Rot. Bonds6

About N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine

N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 115694258) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID115694258
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
SMILESC#CCCCCNC1CCN(C(C)C)C1
InChIInChI=1S/C13H24N2/c1-4-5-6-7-9-14-13-8-10-15(11-13)12(2)3/h1,12-14H,5-11H2,2-3H3
InChIKeyGZSZGXWEZRZCOX-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115688879
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
6-[(1-propan-2-ylpyrrolidin-3-yl)amino]hexan-3-ol
CID 115689573
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
CID 114415416
1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine (CID 115694258) is N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine is C#CCCCCNC1CCN(C(C)C)C1.
What is the InChIKey of N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is GZSZGXWEZRZCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-6-7-9-14-13-8-10-15(11-13)12(2)3/h1,12-14H,5-11H2,2-3H3.
What are the key properties of N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine?
N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 208.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 115694258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).