ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine

C14H32N2 — CID 142067750

IUPACethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine
SMILESCC.CC.CC(C)=CCCNC1CCCN1
InChIInChI=1S/C10H20N2.2C2H6/c1-9(2)5-3-7-11-10-6-4-8-12-10;2*1-2/h5,10-12H,3-4,6-8H2,1-2H3;2*1-2H3
InChIKeyCDAZLRSOLICYLT-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.69
Rot. Bonds4

About ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine

ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine (PubChem CID 142067750) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine.

Molecular Properties

Compound Nameethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine
PubChem CID142067750
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine
SMILESCC.CC.CC(C)=CCCNC1CCCN1
InChIInChI=1S/C10H20N2.2C2H6/c1-9(2)5-3-7-11-10-6-4-8-12-10;2*1-2/h5,10-12H,3-4,6-8H2,1-2H3;2*1-2H3
InChIKeyCDAZLRSOLICYLT-UHFFFAOYSA-N
XLogP3.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate
CID 15503758
2-(3-methylbut-2-enoxymethyl)pyrrolidine
CID 62332849
(2R)-N-methoxypyrrolidin-2-amine
CID 161349886
N-(piperidin-3-ylmethyl)pyrrolidin-2-amine
CID 105440865
N-[(2S)-pyrrolidin-2-yl]formamide
CID 91588342
4-[(pyrrolidin-2-ylamino)methyl]azepan-4-ol
CID 105467075
3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol
CID 106638717
N-pyrrolidin-2-ylmethanesulfonamide
CID 173138820
N-cyclobutylpyrrolidin-2-amine
CID 67060777
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
(2S)-2-methylazepan-4-ol
CID 155155267
4-methyl-N-propylpent-3-en-1-amine
CID 62548656

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine?
The IUPAC name of ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine (CID 142067750) is ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine.
What is the SMILES notation for ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine?
The canonical SMILES for ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine is CC.CC.CC(C)=CCCNC1CCCN1.
What is the InChIKey of ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine?
The InChIKey is CDAZLRSOLICYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2C2H6/c1-9(2)5-3-7-11-10-6-4-8-12-10;2*1-2/h5,10-12H,3-4,6-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine?
ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine has a molecular weight of 228.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine is sourced from PubChem (CID 142067750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).