1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine

C10H22N2 — CID 80561596

IUPAC1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
SMILESCCCN(C(C)C)C1CC(N)C1
InChIInChI=1S/C10H22N2/c1-4-5-12(8(2)3)10-6-9(11)7-10/h8-10H,4-7,11H2,1-3H3
InChIKeyUIZGMQKDBUWPNV-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.60
Rot. Bonds4

About 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine

1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine (PubChem CID 80561596) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
PubChem CID80561596
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
SMILESCCCN(C(C)C)C1CC(N)C1
InChIInChI=1S/C10H22N2/c1-4-5-12(8(2)3)10-6-9(11)7-10/h8-10H,4-7,11H2,1-3H3
InChIKeyUIZGMQKDBUWPNV-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine (CID 80561596) is 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine is CCCN(C(C)C)C1CC(N)C1.
What is the InChIKey of 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine?
The InChIKey is UIZGMQKDBUWPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-5-12(8(2)3)10-6-9(11)7-10/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine?
1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine is sourced from PubChem (CID 80561596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).