N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine

C13H22N2 — CID 142185541

IUPACN-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine
SMILESC=C(CC1N=C(C)CC1(C)C)N/C=C\C
InChIInChI=1S/C13H22N2/c1-6-7-14-10(2)8-12-13(4,5)9-11(3)15-12/h6-7,12,14H,2,8-9H2,1,3-5H3/b7-6-
InChIKeyORTTWGHRAWMPGG-SREVYHEPSA-N
MW206.33 g/mol
LogP3.27
Rot. Bonds4

About N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine

N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine (PubChem CID 142185541) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine
PubChem CID142185541
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine
SMILESC=C(CC1N=C(C)CC1(C)C)N/C=C\C
InChIInChI=1S/C13H22N2/c1-6-7-14-10(2)8-12-13(4,5)9-11(3)15-12/h6-7,12,14H,2,8-9H2,1,3-5H3/b7-6-
InChIKeyORTTWGHRAWMPGG-SREVYHEPSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine?
The IUPAC name of N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine (CID 142185541) is N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine?
The canonical SMILES for N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine is C=C(CC1N=C(C)CC1(C)C)N/C=C\C.
What is the InChIKey of N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine?
The InChIKey is ORTTWGHRAWMPGG-SREVYHEPSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-7-14-10(2)8-12-13(4,5)9-11(3)15-12/h6-7,12,14H,2,8-9H2,1,3-5H3/b7-6-.
What are the key properties of N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine?
N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 142185541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).