N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride

C14H26ClN5 — CID 44570688

IUPACN-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1.Cl
InChIInChI=1S/C14H25N5.ClH/c1-19(2)7-6-17-13-10-16-9-11(13)8-12-4-3-5-14(15)18-12;/h3-5,11,13,16-17H,6-10H2,1-2H3,(H2,15,18);1H/t11-,13+;/m0./s1
InChIKeyNGZRQONAXLLNDU-STEACBGWSA-N
MW299.85 g/mol
LogP0.37
Rot. Bonds6

About N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride

N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 44570688) has the molecular formula C14H26ClN5 and a molecular weight of 299.85 g/mol. Its IUPAC name is N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID44570688
Molecular FormulaC14H26ClN5
Molecular Weight299.85 g/mol
Exact Mass299.19
IUPAC NameN-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1.Cl
InChIInChI=1S/C14H25N5.ClH/c1-19(2)7-6-17-13-10-16-9-11(13)8-12-4-3-5-14(15)18-12;/h3-5,11,13,16-17H,6-10H2,1-2H3,(H2,15,18);1H/t11-,13+;/m0./s1
InChIKeyNGZRQONAXLLNDU-STEACBGWSA-N
XLogP0.37
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride (CID 44570688) is N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride is CN(C)CCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1.Cl.
What is the InChIKey of N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is NGZRQONAXLLNDU-STEACBGWSA-N. The full InChI is InChI=1S/C14H25N5.ClH/c1-19(2)7-6-17-13-10-16-9-11(13)8-12-4-3-5-14(15)18-12;/h3-5,11,13,16-17H,6-10H2,1-2H3,(H2,15,18);1H/t11-,13+;/m0./s1.
What are the key properties of N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?
N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 44570688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).