N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine

C14H27N3 — CID 155031010

IUPACN'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine
SMILESC=C(NCCN)C1CCCN1C(=C)CC(C)C
InChIInChI=1S/C14H27N3/c1-11(2)10-12(3)17-9-5-6-14(17)13(4)16-8-7-15/h11,14,16H,3-10,15H2,1-2H3
InChIKeyUNNSOAZGZIMQSW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.07
Rot. Bonds7

About N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine

N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine (PubChem CID 155031010) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine
PubChem CID155031010
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine
SMILESC=C(NCCN)C1CCCN1C(=C)CC(C)C
InChIInChI=1S/C14H27N3/c1-11(2)10-12(3)17-9-5-6-14(17)13(4)16-8-7-15/h11,14,16H,3-10,15H2,1-2H3
InChIKeyUNNSOAZGZIMQSW-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine (CID 155031010) is N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine is C=C(NCCN)C1CCCN1C(=C)CC(C)C.
What is the InChIKey of N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine?
The InChIKey is UNNSOAZGZIMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)10-12(3)17-9-5-6-14(17)13(4)16-8-7-15/h11,14,16H,3-10,15H2,1-2H3.
What are the key properties of N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine?
N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[1-(4-methylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]ethane-1,2-diamine is sourced from PubChem (CID 155031010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).