N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine

C10H23N3 — CID 79742043

IUPACN',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
SMILESCN(C)CCCCNC1CCNC1
InChIInChI=1S/C10H23N3/c1-13(2)8-4-3-6-12-10-5-7-11-9-10/h10-12H,3-9H2,1-2H3
InChIKeyOSEZZNVEIZSTHV-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.28
Rot. Bonds6

About N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine

N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine (PubChem CID 79742043) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
PubChem CID79742043
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
SMILESCN(C)CCCCNC1CCNC1
InChIInChI=1S/C10H23N3/c1-13(2)8-4-3-6-12-10-5-7-11-9-10/h10-12H,3-9H2,1-2H3
InChIKeyOSEZZNVEIZSTHV-UHFFFAOYSA-N
XLogP0.28
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide
CID 66986857
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
CID 106041004
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
N',N'-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butane-1,4-diamine
CID 64754071
N'-[(E)-1-fluorohex-2-en-3-yl]-N-[(3S)-pyrrolidin-3-yl]butane-1,4-diamine
CID 155072621
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
2-[2-(dimethylamino)ethoxy]-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 67242571
N,N-dimethyl-5-(piperidin-4-ylamino)pentanamide
CID 173326763
N-but-3-ynylpyrrolidin-3-amine
CID 79741791
N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
CID 106333768

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine (CID 79742043) is N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine is CN(C)CCCCNC1CCNC1.
What is the InChIKey of N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine?
The InChIKey is OSEZZNVEIZSTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-13(2)8-4-3-6-12-10-5-7-11-9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine?
N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine is sourced from PubChem (CID 79742043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).