N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C17H29N3 — CID 79984117

IUPACN'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C17H29N3/c1-19(2)10-5-11-20(3)17(13-18)16-7-4-6-15(12-16)14-8-9-14/h4,6-7,12,14,17H,5,8-11,13,18H2,1-3H3
InChIKeyFQRMPTFKYPCJIV-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.45
Rot. Bonds8

About N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 79984117) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID79984117
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C17H29N3/c1-19(2)10-5-11-20(3)17(13-18)16-7-4-6-15(12-16)14-8-9-14/h4,6-7,12,14,17H,5,8-11,13,18H2,1-3H3
InChIKeyFQRMPTFKYPCJIV-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 79984117) is N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)C(CN)c1cccc(C2CC2)c1.
What is the InChIKey of N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is FQRMPTFKYPCJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19(2)10-5-11-20(3)17(13-18)16-7-4-6-15(12-16)14-8-9-14/h4,6-7,12,14,17H,5,8-11,13,18H2,1-3H3.
What are the key properties of N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).