1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine

C9H22N4 — CID 171634337

IUPAC1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine
SMILESNCCCN1CCC(C(N)CN)C1
InChIInChI=1S/C9H22N4/c10-3-1-4-13-5-2-8(7-13)9(12)6-11/h8-9H,1-7,10-12H2
InChIKeyCUFMNHIKPHSHSR-UHFFFAOYSA-N
MW186.30 g/mol
LogP-1.06
Rot. Bonds5

About 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine

1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine (PubChem CID 171634337) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine
PubChem CID171634337
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine
SMILESNCCCN1CCC(C(N)CN)C1
InChIInChI=1S/C9H22N4/c10-3-1-4-13-5-2-8(7-13)9(12)6-11/h8-9H,1-7,10-12H2
InChIKeyCUFMNHIKPHSHSR-UHFFFAOYSA-N
XLogP-1.06
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-aminopentyl)pyrrolidin-3-yl]ethanol
CID 112624715
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine
CID 129494379
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117
(3S)-1-butyl-3-(difluoromethyl)pyrrolidine
CID 175738561
(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129497955
1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine?
The IUPAC name of 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine (CID 171634337) is 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine is NCCCN1CCC(C(N)CN)C1.
What is the InChIKey of 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine?
The InChIKey is CUFMNHIKPHSHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c10-3-1-4-13-5-2-8(7-13)9(12)6-11/h8-9H,1-7,10-12H2.
What are the key properties of 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine?
1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminopropyl)pyrrolidin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 171634337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).