N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C18H39N3 — CID 65089094

IUPACN'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)C1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C18H39N3/c1-6-12-21(14-13-20(4)5)18(15-19)10-7-8-17(9-11-18)16(2)3/h16-17H,6-15,19H2,1-5H3
InChIKeyDKXFDHBQFUFZPU-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.19
Rot. Bonds8

About N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 65089094) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID65089094
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)C1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C18H39N3/c1-6-12-21(14-13-20(4)5)18(15-19)10-7-8-17(9-11-18)16(2)3/h16-17H,6-15,19H2,1-5H3
InChIKeyDKXFDHBQFUFZPU-UHFFFAOYSA-N
XLogP3.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 65089094) is N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)C1(CN)CCCC(C(C)C)CC1.
What is the InChIKey of N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is DKXFDHBQFUFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-6-12-21(14-13-20(4)5)18(15-19)10-7-8-17(9-11-18)16(2)3/h16-17H,6-15,19H2,1-5H3.
What are the key properties of N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 65089094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).