1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine

C15H25N3 — CID 173184821

IUPAC1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine
SMILESCN(C)CC(Cc1ccccc1)NC1CCNC1
InChIInChI=1S/C15H25N3/c1-18(2)12-15(17-14-8-9-16-11-14)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3
InChIKeyRKSPZMKHMHRNTA-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.11
Rot. Bonds6

About 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine

1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine (PubChem CID 173184821) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine
PubChem CID173184821
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine
SMILESCN(C)CC(Cc1ccccc1)NC1CCNC1
InChIInChI=1S/C15H25N3/c1-18(2)12-15(17-14-8-9-16-11-14)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3
InChIKeyRKSPZMKHMHRNTA-UHFFFAOYSA-N
XLogP1.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
CID 79724005
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119859518
(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 58598101
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119859537
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine (CID 173184821) is 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine is CN(C)CC(Cc1ccccc1)NC1CCNC1.
What is the InChIKey of 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine?
The InChIKey is RKSPZMKHMHRNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-18(2)12-15(17-14-8-9-16-11-14)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine?
1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine is sourced from PubChem (CID 173184821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).