4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide

C14H29N3O2 — CID 118974824

IUPAC4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCC(C)NCNC1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-11(2)17-14(18)5-4-12(3)15-10-16-13-6-8-19-9-7-13/h11-13,15-16H,4-10H2,1-3H3,(H,17,18)
InChIKeyDYTALAUBAFQCRQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.00
Rot. Bonds8

About 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide

4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide (PubChem CID 118974824) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide
PubChem CID118974824
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCC(C)NCNC1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-11(2)17-14(18)5-4-12(3)15-10-16-13-6-8-19-9-7-13/h11-13,15-16H,4-10H2,1-3H3,(H,17,18)
InChIKeyDYTALAUBAFQCRQ-UHFFFAOYSA-N
XLogP1.00
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide?
The IUPAC name of 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide (CID 118974824) is 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide.
What is the SMILES notation for 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide?
The canonical SMILES for 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide is CC(C)NC(=O)CCC(C)NCNC1CCOCC1.
What is the InChIKey of 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide?
The InChIKey is DYTALAUBAFQCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)17-14(18)5-4-12(3)15-10-16-13-6-8-19-9-7-13/h11-13,15-16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide?
4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide has a molecular weight of 271.40 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(oxan-4-ylamino)methylamino]-N-propan-2-ylpentanamide is sourced from PubChem (CID 118974824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).