N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine

C17H30N4 — CID 150406951

IUPACN'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine
SMILESCN1CCC[C@H]1c1cncc(CCCNCCCCN)c1
InChIInChI=1S/C17H30N4/c1-21-11-5-7-17(21)16-12-15(13-20-14-16)6-4-10-19-9-3-2-8-18/h12-14,17,19H,2-11,18H2,1H3/t17-/m0/s1
InChIKeyHEYWCYXZGNENBF-KRWDZBQOSA-N
MW290.46 g/mol
LogP2.11
Rot. Bonds9

About N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine

N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine (PubChem CID 150406951) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine
PubChem CID150406951
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine
SMILESCN1CCC[C@H]1c1cncc(CCCNCCCCN)c1
InChIInChI=1S/C17H30N4/c1-21-11-5-7-17(21)16-12-15(13-20-14-16)6-4-10-19-9-3-2-8-18/h12-14,17,19H,2-11,18H2,1H3/t17-/m0/s1
InChIKeyHEYWCYXZGNENBF-KRWDZBQOSA-N
XLogP2.11
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine
CID 150875218
4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide
CID 58537410
3-(2-isocyanoethyl)-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 58537427
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174745623
2-[2-[2-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid
CID 89482414
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
CID 162140698
5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide
CID 76816641
7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide
CID 58537445
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 10559473
2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide
CID 58537411
3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide
CID 76816664

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine?
The IUPAC name of N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine (CID 150406951) is N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine is CN1CCC[C@H]1c1cncc(CCCNCCCCN)c1.
What is the InChIKey of N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine?
The InChIKey is HEYWCYXZGNENBF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H30N4/c1-21-11-5-7-17(21)16-12-15(13-20-14-16)6-4-10-19-9-3-2-8-18/h12-14,17,19H,2-11,18H2,1H3/t17-/m0/s1.
What are the key properties of N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine?
N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine has a molecular weight of 290.46 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine is sourced from PubChem (CID 150406951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).