N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine

C17H34N2 — CID 62263505

IUPACN-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(CC1(CNC(C)C)CCCCC1)C1CC1
InChIInChI=1S/C17H34N2/c1-4-12-19(16-8-9-16)14-17(13-18-15(2)3)10-6-5-7-11-17/h15-16,18H,4-14H2,1-3H3
InChIKeyJCFYLMUFAVEULK-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds8

About N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine

N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine (PubChem CID 62263505) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
PubChem CID62263505
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(CC1(CNC(C)C)CCCCC1)C1CC1
InChIInChI=1S/C17H34N2/c1-4-12-19(16-8-9-16)14-17(13-18-15(2)3)10-6-5-7-11-17/h15-16,18H,4-14H2,1-3H3
InChIKeyJCFYLMUFAVEULK-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
N,4-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]cyclohexan-1-amine
CID 63495234
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
CID 63482182
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
N-[[1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62260942
1-[[cyclobutyl(propyl)amino]methyl]cyclopentan-1-ol
CID 126846885
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pentan-2-amine
CID 62257887
2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
CID 102871050

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine (CID 62263505) is N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine is CCCN(CC1(CNC(C)C)CCCCC1)C1CC1.
What is the InChIKey of N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine?
The InChIKey is JCFYLMUFAVEULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-12-19(16-8-9-16)14-17(13-18-15(2)3)10-6-5-7-11-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine?
N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 62263505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).