1-hexan-3-yl-N-propylpyrrolidin-3-amine

C13H28N2 — CID 62119500

IUPAC1-hexan-3-yl-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(C(CC)CCC)C1
InChIInChI=1S/C13H28N2/c1-4-7-13(6-3)15-10-8-12(11-15)14-9-5-2/h12-14H,4-11H2,1-3H3
InChIKeyAKUMFUDDJVZAGT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds7

About 1-hexan-3-yl-N-propylpyrrolidin-3-amine

1-hexan-3-yl-N-propylpyrrolidin-3-amine (PubChem CID 62119500) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-hexan-3-yl-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-hexan-3-yl-N-propylpyrrolidin-3-amine
PubChem CID62119500
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-hexan-3-yl-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(C(CC)CCC)C1
InChIInChI=1S/C13H28N2/c1-4-7-13(6-3)15-10-8-12(11-15)14-9-5-2/h12-14H,4-11H2,1-3H3
InChIKeyAKUMFUDDJVZAGT-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62513962
1-(5-methylhexan-2-yl)-N-propylpiperidin-4-amine
CID 63925487
N-propyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-3-amine
CID 54962549
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
CID 43314968
1-(4-methoxybutan-2-yl)-N-propylpiperidin-4-amine
CID 64605073
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254
1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 54965482
6-[(1-propan-2-ylpyrrolidin-3-yl)amino]hexan-3-ol
CID 115689573
N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 83054279
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine
CID 65049481

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-hexan-3-yl-N-propylpyrrolidin-3-amine (CID 62119500) is 1-hexan-3-yl-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-hexan-3-yl-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-hexan-3-yl-N-propylpyrrolidin-3-amine is CCCNC1CCN(C(CC)CCC)C1.
What is the InChIKey of 1-hexan-3-yl-N-propylpyrrolidin-3-amine?
The InChIKey is AKUMFUDDJVZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-7-13(6-3)15-10-8-12(11-15)14-9-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-hexan-3-yl-N-propylpyrrolidin-3-amine?
1-hexan-3-yl-N-propylpyrrolidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 62119500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).